title: [Method for conformation calculations of large fragments of nucleic acids. I. Models for conformational energy surface ribose and 2'-deoxyribose].
abstract: A simple method for conformational calculations for large polynucleotide fragments is proposed. The full conformational energy of a polynucleotide fragment is considered to be a sum of the selfmonomers conformational energy and the intermonomers interaction energy. It is proposed to calculate the last term using the group-group interaction potentials according to the three center model of nucleotide (the base, the ribose, the phosphate group). Fast calculation of selfmonomer conformation energy is proposed to the performed on the base of their preliminary constructed semianalytical models of conformational surface. The semianalytical models of conformational energy surface and the dependence of valence angles from pseudorotation parameters, which have been calculated by the atom atom potentials method are given in this communication for ribose and 2'-deoxyribose.
mesh_terms: D003855:Deoxyribose; D046911:Macromolecular Substances; D008433:Mathematics; D008722:Methods; D008954:Models, Biological; D009690:Nucleic Acid Conformation; D012266:Ribose
chemical_list: D046911:Macromolecular Substances; D003855:Deoxyribose; D012266:Ribose
vernacular_title: Metod konformatsionnykh raschetov bol'shikh fragmentov nukleinovykh kislot. I. Model' poverkhnosti konformatsionnoĭ énergii ribozy i 2'-dezoksiribozy.